HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=148",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=146",
"results": [
{
"id": "jvasp-34264",
"created_at": "2022-09-04T14:37:09.214811Z",
"updated_at": "2022-09-04T14:37:09.214831Z",
"structure_string": "Zn2 P2 O7\n1.0\n4.482865 0.021696 -0.735628\n-1.077300 5.073976 -1.195933\n0.017080 -0.007463 5.323128\nZn P O\n2 2 7\ndirect\n0.500002 0.691198 0.308801 Zn\n0.500000 0.308803 0.691199 Zn\n0.092231 0.784575 0.784574 P\n0.907771 0.215427 0.215426 P\n0.276708 0.930400 0.624844 O\n0.723294 0.375158 0.069602 O\n0.723294 0.069602 0.375157 O\n0.276708 0.624843 0.930399 O\n0.213600 0.381529 0.381529 O\n-0.000000 0.000000 0.000001 O\n0.786402 0.618472 0.618472 O\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Zn",
"P",
"O"
],
"chemical_system": "O-P-Zn",
"density": 4.174742046885692,
"density_atomic": 0.09074305201829591,
"volume": 121.2214021386689,
"volume_molar": 6.636475880032993,
"formula_full": "Zn2 P2 O7",
"formula_reduced": "Zn2P2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 1.9747069363636365,
"spacegroup": 12
},
{
"id": "jvasp-21321",
"created_at": "2022-09-04T14:36:51.920933Z",
"updated_at": "2022-09-04T14:36:51.920959Z",
"structure_string": "Zn4 Ni2 W2 O12\n1.0\n0.000000 5.171336 0.005980\n5.201082 0.000000 0.000000\n0.000000 -5.036947 -7.692705\nZn Ni W O\n4 2 2 12\ndirect\n0.260552 0.965373 0.253543 Zn\n0.739448 0.465374 0.246457 Zn\n0.739448 0.034626 0.746456 Zn\n0.260551 0.534626 0.753543 Zn\n0.500000 0.000000 -0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n-0.000001 0.000000 0.500000 W\n0.000000 0.500000 0.000000 W\n0.643187 0.079729 0.261293 O\n0.356813 0.579729 0.238707 O\n0.737987 0.673989 0.057131 O\n0.262013 0.173990 0.442869 O\n0.262013 0.326010 0.942868 O\n0.913045 0.185497 0.075111 O\n0.086954 0.814502 0.924888 O\n0.913045 0.314503 0.575111 O\n0.356812 0.920271 0.738706 O\n0.086955 0.685497 0.424888 O\n0.737986 0.826010 0.557131 O\n0.643187 0.420271 0.761293 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Zn",
"Ni",
"W",
"O"
],
"chemical_system": "Ni-O-W-Zn",
"density": 7.539235306256396,
"density_atomic": 0.09673495061173781,
"volume": 206.75050613581644,
"volume_molar": 6.225403250755651,
"formula_full": "Zn4 Ni2 W2 O12",
"formula_reduced": "Zn2NiWO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.26359542,
"spacegroup": 14
},
{
"id": "jvasp-41045",
"created_at": "2022-09-04T14:37:35.913380Z",
"updated_at": "2022-09-04T14:37:35.913393Z",
"structure_string": "Zn2 Ni1 Rh1\n1.0\n-0.000000 2.960568 2.960568\n2.960568 0.000000 2.960568\n2.960568 2.960568 -0.000000\nZn Ni Rh\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Zn\n0.499999 0.499999 0.499999 Zn\n0.250000 0.250000 0.250000 Ni\n0.750002 0.750002 0.750002 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zn",
"Ni",
"Rh"
],
"chemical_system": "Ni-Rh-Zn",
"density": 9.356134330408864,
"density_atomic": 0.07707346316394408,
"volume": 51.89853726296874,
"volume_molar": 7.8135074158925715,
"formula_full": "Zn2 Ni1 Rh1",
"formula_reduced": "Zn2NiRh",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.1100615499999999,
"spacegroup": 225
},
{
"id": "jvasp-103668",
"created_at": "2022-09-04T14:36:42.429718Z",
"updated_at": "2022-09-04T14:36:42.429731Z",
"structure_string": "Zn2 Ni1 O3\n1.0\n3.900963 -0.004683 -3.492966\n-0.390117 2.872899 -4.360345\n-0.001459 0.004683 5.236251\nZn Ni O\n2 1 3\ndirect\n0.665645 0.665647 0.000000 Zn\n0.334354 0.334354 0.000000 Zn\n0.000000 0.000000 0.000000 Ni\n0.500000 0.000000 0.499999 O\n0.163075 0.663076 0.500000 O\n0.836923 0.336925 0.499999 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Zn",
"Ni",
"O"
],
"chemical_system": "Ni-O-Zn",
"density": 6.713677848234337,
"density_atomic": 0.10213662024608626,
"volume": 58.744845732546274,
"volume_molar": 5.896162165431317,
"formula_full": "Zn2 Ni1 O3",
"formula_reduced": "Zn2NiO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.7456472833333334,
"spacegroup": 71
},
{
"id": "jvasp-11532",
"created_at": "2022-09-04T14:36:48.151941Z",
"updated_at": "2022-09-04T14:36:48.151957Z",
"structure_string": "Zn4 Ni2 N4\n1.0\n3.557042 -0.001659 -0.001353\n-1.775922 5.667034 -0.009655\n-1.777499 -1.778300 6.179734\nZn Ni N\n4 2 4\ndirect\n0.149140 0.804037 0.492127 Zn\n0.852772 0.193996 0.509319 Zn\n0.299047 0.393566 0.202571 Zn\n0.702771 0.604486 0.798880 Zn\n0.494431 0.874129 0.112688 Ni\n0.507396 0.123925 0.888767 Ni\n0.554865 0.750855 0.356785 N\n0.447074 0.247214 0.644671 N\n0.294914 0.772374 0.815256 N\n0.706901 0.225674 0.186199 N\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Zn",
"Ni",
"N"
],
"chemical_system": "N-Ni-Zn",
"density": 5.803798387442833,
"density_atomic": 0.08033863459228598,
"volume": 124.47311372354577,
"volume_molar": 7.495946116786803,
"formula_full": "Zn4 Ni2 N4",
"formula_reduced": "Zn2NiN2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.7682899399999996,
"spacegroup": 12
},
{
"id": "jvasp-79363",
"created_at": "2022-09-04T14:37:14.929421Z",
"updated_at": "2022-09-04T14:37:14.929431Z",
"structure_string": "Zn2 Ni1 Ir1\n1.0\n-0.000000 2.976348 2.976348\n2.976348 -0.000000 2.976348\n2.976348 2.976348 0.000000\nZn Ni Ir\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n0.750000 0.750000 0.750000 Ni\n0.250000 0.250000 0.250000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zn",
"Ni",
"Ir"
],
"chemical_system": "Ir-Ni-Zn",
"density": 12.020497674500545,
"density_atomic": 0.07585406695033545,
"volume": 52.73283504520532,
"volume_molar": 7.939113882902185,
"formula_full": "Zn2 Ni1 Ir1",
"formula_reduced": "Zn2NiIr",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5717260749999998,
"spacegroup": 225
},
{
"id": "jvasp-9525",
"created_at": "2022-09-04T14:37:17.904700Z",
"updated_at": "2022-09-04T14:37:17.904710Z",
"structure_string": "Zn2 Ni3 O8\n1.0\n4.741780 0.174455 -1.157179\n-0.829846 4.932083 -2.656914\n0.202776 -0.193305 5.613646\nZn Ni O\n2 3 8\ndirect\n0.613583 0.707048 0.414096 Zn\n0.386416 0.292954 0.585906 Zn\n0.499999 0.999999 0.000000 Ni\n0.999999 0.748751 0.000000 Ni\n0.999999 0.251251 0.000000 Ni\n0.078306 0.390412 0.780824 O\n0.921694 0.609588 0.219178 O\n0.120544 0.898959 0.797918 O\n0.879457 0.101041 0.202082 O\n0.370529 0.339379 0.227115 O\n0.370528 0.887736 0.227115 O\n0.629473 0.112265 0.772887 O\n0.629473 0.660622 0.772887 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Zn",
"Ni",
"O"
],
"chemical_system": "Ni-O-Zn",
"density": 5.532055355403317,
"density_atomic": 0.0995859235160215,
"volume": 130.54053766854454,
"volume_molar": 6.047180713277365,
"formula_full": "Zn2 Ni3 O8",
"formula_reduced": "Zn2Ni3O8",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 1.7348196923076922,
"spacegroup": 12
},
{
"id": "jvasp-101775",
"created_at": "2022-09-04T14:36:39.427433Z",
"updated_at": "2022-09-04T14:36:39.427466Z",
"structure_string": "Zn2 Ni3 O5\n1.0\n3.972043 -0.000289 3.335427\n1.715731 3.582373 3.335427\n0.001841 0.001159 6.703649\nZn Ni O\n2 3 5\ndirect\n0.598955 0.598955 0.200708 Zn\n0.401044 0.401044 0.799294 Zn\n0.000000 0.000000 0.000000 Ni\n0.798510 0.798510 0.599249 Ni\n0.201489 0.201489 0.400753 Ni\n0.093961 0.093961 0.207117 O\n0.500000 0.499999 0.000001 O\n0.294102 0.294102 0.604728 O\n0.906038 0.906038 0.792885 O\n0.705897 0.705897 0.395274 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Zn",
"Ni",
"O"
],
"chemical_system": "Ni-O-Zn",
"density": 6.737071948190164,
"density_atomic": 0.10486456176315777,
"volume": 95.36110037426691,
"volume_molar": 5.74277969482324,
"formula_full": "Zn2 Ni3 O5",
"formula_reduced": "Zn2Ni3O5",
"formula_anonymous": "A2B3C5",
"energy_above_hull": 1.34154855,
"spacegroup": 12
},
{
"id": "jvasp-114925",
"created_at": "2022-09-04T14:38:43.309627Z",
"updated_at": "2022-09-04T14:38:43.309647Z",
"structure_string": "Zn2 N1 F1\n1.0\n1.590906 0.918510 5.161328\n-1.590906 0.918510 5.161328\n-0.000000 -1.837020 5.161328\nZn N F\n2 1 1\ndirect\n0.767828 0.767828 0.767824 Zn\n0.232173 0.232173 0.232172 Zn\n0.500001 0.500001 0.499998 N\n0.000000 0.000000 0.000000 F\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zn",
"N",
"F"
],
"chemical_system": "F-N-Zn",
"density": 6.011503821108302,
"density_atomic": 0.08839320338916089,
"volume": 45.25234799319984,
"volume_molar": 6.812900233388824,
"formula_full": "Zn2 N1 F1",
"formula_reduced": "Zn2NF",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.2624560831249998,
"spacegroup": 166
},
{
"id": "jvasp-11306",
"created_at": "2022-09-04T14:37:09.913696Z",
"updated_at": "2022-09-04T14:37:09.913722Z",
"structure_string": "Zn2 Mo3 O8\n1.0\n4.810727 -0.359519 -2.169939\n-0.845442 5.024773 -2.706846\n-0.672336 0.185493 6.703577\nZn Mo O\n2 3 8\ndirect\n0.743005 0.700264 0.400527 Zn\n0.256992 0.299739 0.599479 Zn\n0.500007 0.999999 0.000001 Mo\n-0.000003 0.708838 0.000001 Mo\n-0.000003 0.291164 0.000001 Mo\n-0.011791 0.366972 0.733946 O\n0.011788 0.633028 0.266056 O\n0.021930 0.891519 0.783039 O\n0.978079 0.108483 0.216968 O\n0.448522 0.351398 0.206182 O\n0.448522 0.854784 0.206182 O\n0.551475 0.145207 0.793805 O\n0.551475 0.648596 0.793805 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Zn",
"Mo",
"O"
],
"chemical_system": "Mo-O-Zn",
"density": 5.864587682159053,
"density_atomic": 0.08399157660674023,
"volume": 154.77742560861472,
"volume_molar": 7.169934180657743,
"formula_full": "Zn2 Mo3 O8",
"formula_reduced": "Zn2Mo3O8",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 3.0792620384615383,
"spacegroup": 12
},
{
"id": "jvasp-108719",
"created_at": "2022-09-04T14:38:17.600835Z",
"updated_at": "2022-09-04T14:38:17.600864Z",
"structure_string": "Zn2 In1 Cu1 Se4\n1.0\n5.294864 0.010607 -4.741308\n-1.050423 5.189635 -4.741308\n-0.008657 -0.010607 7.107426\nZn In Cu Se\n2 1 1 4\ndirect\n0.749999 0.250000 0.499999 Zn\n0.250000 0.749999 0.499999 Zn\n0.500000 0.500000 -0.000000 In\n0.000000 0.000000 0.000000 Cu\n0.363006 0.363006 0.469445 Se\n0.106440 0.636993 -0.000000 Se\n0.893560 0.893560 0.530553 Se\n0.636993 0.106440 -0.000000 Se\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Zn",
"In",
"Cu",
"Se"
],
"chemical_system": "Cu-In-Se-Zn",
"density": 5.326572304340013,
"density_atomic": 0.04105758606402766,
"volume": 194.848279378245,
"volume_molar": 14.667547065744959,
"formula_full": "Zn2 In1 Cu1 Se4",
"formula_reduced": "Zn2InCuSe4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 0.1449055858333333,
"spacegroup": 121
},
{
"id": "jvasp-29356",
"created_at": "2022-09-04T14:37:59.092271Z",
"updated_at": "2022-09-04T14:37:59.092302Z",
"structure_string": "Zn2 In2 S5\n1.0\n3.840221 -0.020825 15.039401\n1.872226 3.352984 15.039401\n-0.035701 -0.020825 15.521907\nZn In S\n2 2 5\ndirect\n0.686925 0.686921 0.686924 Zn\n0.517613 0.517609 0.517612 Zn\n0.102849 0.102848 0.102849 In\n0.924623 0.924617 0.924622 In\n0.006272 0.006272 0.006272 S\n0.468689 0.468686 0.468688 S\n0.614004 0.614000 0.614003 S\n0.741153 0.741148 0.741152 S\n0.869886 0.869880 0.869884 S\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Zn",
"In",
"S"
],
"chemical_system": "In-S-Zn",
"density": 4.262149277447065,
"density_atomic": 0.044357657678227656,
"volume": 202.8961958561109,
"volume_molar": 13.576327234600317,
"formula_full": "Zn2 In2 S5",
"formula_reduced": "Zn2In2S5",
"formula_anonymous": "A2B2C5",
"energy_above_hull": 0.6927233333333335,
"spacegroup": 160
}
]
}